N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide

C18H15F3N2O3 — CID 49163356

IUPACN-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C18H15F3N2O3/c1-10(24)22-15-5-4-14(18(19,20)21)7-16(15)23-17(25)11-2-3-12-8-26-9-13(12)6-11/h2-7H,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKeyVLMGEUMKSOBEFV-UHFFFAOYSA-N
MW364.32 g/mol
LogP3.95
Rot. Bonds3

About N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide

N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 49163356) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID49163356
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C18H15F3N2O3/c1-10(24)22-15-5-4-14(18(19,20)21)7-16(15)23-17(25)11-2-3-12-8-26-9-13(12)6-11/h2-7H,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKeyVLMGEUMKSOBEFV-UHFFFAOYSA-N
XLogP3.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 71881491
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49156312
N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732681
N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79954013
N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 48524407
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 48524891
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 51152139
N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 166229195
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 48524701

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide (CID 49163356) is N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide is CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is VLMGEUMKSOBEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-10(24)22-15-5-4-14(18(19,20)21)7-16(15)23-17(25)11-2-3-12-8-26-9-13(12)6-11/h2-7H,8-9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 364.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 49163356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).